Sugi Predict

Sugi Predict / Compounds / SCHEMBL2038422

SCHEMBL2038422

SCHEMBL2038422

CC1(C)CCCc2cc(-c3ncnc(N4CCNCC4)n3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.42
▸ PIK3CA P42336 2/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ CASP1 P29466 2/20 0.33
▸ CASP4 P49662 1/20 0.33
▸ CASP5 P51878 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ CYP1A2 P05177 6/20 0.33
▸ ALDH1A1 P00352 5/20 0.33
▸ CYP3A4 P08684 4/20 0.33
▸ CYP2C19 P33261 4/20 0.33
▸ CLK4 Q9HAZ1 2/20 0.33
▸ PGR P06401 1/20 0.33
▸ ADRB1 P08588 1/20 0.32
▸ HPGD P15428 2/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ ALOX5AP P20292 1/20 0.32
▸ GLA P06280 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2031547 0.93 HRH4 (0.43) HRH4PIK3CAHTR2AHTR2CCASP1
SCHEMBL2035508 0.85 HRH4 (0.43) HRH4PIK3CACYP1A2ALDH1A1CYP3A4
SCHEMBL2015674 0.79 PIK3CA (0.45) HRH4PIK3CAMAPT
SCHEMBL12632544 0.75 ASIC3 (0.45) HTR2AHTR2CALDH1A1IRAK4
SCHEMBL2224658 0.74 BAZ2A (0.46) ALDH1A1HPGDHSD17B10ALOX15POLB
SCHEMBL12937054 0.74 HTR2A (0.40) HTR2AHTR2CCASP1CASP4CASP5
Bromide SCHEMBL12806056 0.74 BAZ2A (0.46) ALDH1A1HPGDHSD17B10ALOX15POLB
SCHEMBL2033275 0.72 PIK3CA (0.46) HRH4PIK3CAKDM1AMAPT
SCHEMBL19124978 0.71 CETP (0.56) HRH4HTR2ACASP1CYP1A2ALDH1A1
SCHEMBL12959441 0.70 DKK1 (0.46) HRH4IRAK4KDM1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062015-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2015-06-23 — — US disclosed
US-9062015-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2015-06-23 — — US disclosed
US-9062015-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2015-06-23 — — US disclosed
EP-2513057-B1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2013-09-04 — — EP disclosed
EP-2513057-B1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2013-09-04 — — EP disclosed
EP-2513057-A1 SPHINGOSINE KINASE INHIBITORS Merck Patent GmbH (DE) 2012-10-24 — — EP disclosed
US-20120252789-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 — — US disclosed
US-20120252789-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 — — US disclosed
US-20120252789-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 — — US disclosed
WO-2011072791-A1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-06-23 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120252789-A1 INHIBITORS OF SPHINGOSINE KINASE SPHK1, SPHK2, S1PR3 HRH4 419/4885PIK3CA 488/4885HTR2A 2871/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.